[4-[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]-(2-furyl)methanone CAS Name: [4-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-1-piperazin-4-iumyl]-(2-furanyl)methanone IUPAC Name: [4-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]-(2-furyl)methanone Formula: C18H22BrN2O4+ MolecularWeight: 410.28228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)Br)O)C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COC2=CC=C(C=C2)Br)O)C(=O)C3=CC=CO3

InChI

InChI=1S/C18H21BrN2O4/c19-14-3-5-16(6-4-14)25-13-15(22)12-20-7-9-21(10-8-20)18(23)17-2-1-11-24-17/h1-6,11,15,22H,7-10,12-13H2/p+1/t15-/m1/s1